10-(oxiran-2-ylmethoxy)decan-1-ol

C13H26O3 — CID 141116749

IUPAC10-(oxiran-2-ylmethoxy)decan-1-ol
SMILESOCCCCCCCCCCOCC1CO1
InChIInChI=1S/C13H26O3/c14-9-7-5-3-1-2-4-6-8-10-15-11-13-12-16-13/h13-14H,1-12H2
InChIKeyLLVLQLNOVBJNPI-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.51
Rot. Bonds12

About 10-(oxiran-2-ylmethoxy)decan-1-ol

10-(oxiran-2-ylmethoxy)decan-1-ol (PubChem CID 141116749) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 10-(oxiran-2-ylmethoxy)decan-1-ol.

Molecular Properties

Compound Name10-(oxiran-2-ylmethoxy)decan-1-ol
PubChem CID141116749
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name10-(oxiran-2-ylmethoxy)decan-1-ol
SMILESOCCCCCCCCCCOCC1CO1
InChIInChI=1S/C13H26O3/c14-9-7-5-3-1-2-4-6-8-10-15-11-13-12-16-13/h13-14H,1-12H2
InChIKeyLLVLQLNOVBJNPI-UHFFFAOYSA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(4-methoxybutoxymethyl)oxirane
CID 58151519

Frequently Asked Questions

What is the IUPAC name of 10-(oxiran-2-ylmethoxy)decan-1-ol?
The IUPAC name of 10-(oxiran-2-ylmethoxy)decan-1-ol (CID 141116749) is 10-(oxiran-2-ylmethoxy)decan-1-ol.
What is the SMILES notation for 10-(oxiran-2-ylmethoxy)decan-1-ol?
The canonical SMILES for 10-(oxiran-2-ylmethoxy)decan-1-ol is OCCCCCCCCCCOCC1CO1.
What is the InChIKey of 10-(oxiran-2-ylmethoxy)decan-1-ol?
The InChIKey is LLVLQLNOVBJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c14-9-7-5-3-1-2-4-6-8-10-15-11-13-12-16-13/h13-14H,1-12H2.
What are the key properties of 10-(oxiran-2-ylmethoxy)decan-1-ol?
10-(oxiran-2-ylmethoxy)decan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 2.51, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(oxiran-2-ylmethoxy)decan-1-ol is sourced from PubChem (CID 141116749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).